3-chloro-2-[2,2-difluoroethyl(methyl)amino]pyridine-4-carbonitrile

C9H8ClF2N3 — CID 107058480

IUPAC3-chloro-2-[2,2-difluoroethyl(methyl)amino]pyridine-4-carbonitrile
SMILESCN(CC(F)F)c1nccc(C#N)c1Cl
InChIInChI=1S/C9H8ClF2N3/c1-15(5-7(11)12)9-8(10)6(4-13)2-3-14-9/h2-3,7H,5H2,1H3
InChIKeyPWNKQMKVQFTHOK-UHFFFAOYSA-N
MW231.63 g/mol
LogP2.31
Rot. Bonds3

About 3-chloro-2-[2,2-difluoroethyl(methyl)amino]pyridine-4-carbonitrile

3-chloro-2-[2,2-difluoroethyl(methyl)amino]pyridine-4-carbonitrile (PubChem CID 107058480) has the molecular formula C9H8ClF2N3 and a molecular weight of 231.63 g/mol. Its IUPAC name is 3-chloro-2-[2,2-difluoroethyl(methyl)amino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-chloro-2-[2,2-difluoroethyl(methyl)amino]pyridine-4-carbonitrile
PubChem CID107058480
Molecular FormulaC9H8ClF2N3
Molecular Weight231.63 g/mol
Exact Mass231.04
IUPAC Name3-chloro-2-[2,2-difluoroethyl(methyl)amino]pyridine-4-carbonitrile
SMILESCN(CC(F)F)c1nccc(C#N)c1Cl
InChIInChI=1S/C9H8ClF2N3/c1-15(5-7(11)12)9-8(10)6(4-13)2-3-14-9/h2-3,7H,5H2,1H3
InChIKeyPWNKQMKVQFTHOK-UHFFFAOYSA-N
XLogP2.31
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.63
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-2-[2-hydroxypropyl(methyl)amino]pyridine-4-carbonitrile
CID 107057550
3-chloro-2-[ethyl(methyl)amino]pyridine-4-carbonitrile
CID 107056896
3-chloro-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]pyridine-4-carbonitrile
CID 107479563
2-[(3-chloro-4-cyano-2-pyridinyl)-methylamino]acetamide
CID 107056929
3-chloro-2-[1-cyanopropan-2-yl(methyl)amino]pyridine-4-carbonitrile
CID 107056611
3-chloro-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pyridine-4-carbonitrile
CID 107057707
3-chloro-2-[2-methoxyethyl(2-methylpropyl)amino]pyridine-4-carbonitrile
CID 107057272
3-chloro-2-[pentyl(propan-2-yl)amino]pyridine-4-carbonitrile
CID 107057326
3-chloro-2-[cyclopentyl(3-methylbutyl)amino]pyridine-4-carbonitrile
CID 107058051
4-[(3-chloro-4-cyano-2-pyridinyl)-methylamino]benzoic acid
CID 107056589
3-chloro-2-[2-(dimethylamino)-2-methylpropoxy]pyridine-4-carbonitrile
CID 107059108
5-amino-6-[2,2-difluoroethyl(methyl)amino]pyridine-3-carbonitrile
CID 103469188

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[2,2-difluoroethyl(methyl)amino]pyridine-4-carbonitrile?
The IUPAC name of 3-chloro-2-[2,2-difluoroethyl(methyl)amino]pyridine-4-carbonitrile (CID 107058480) is 3-chloro-2-[2,2-difluoroethyl(methyl)amino]pyridine-4-carbonitrile.
What is the SMILES notation for 3-chloro-2-[2,2-difluoroethyl(methyl)amino]pyridine-4-carbonitrile?
The canonical SMILES for 3-chloro-2-[2,2-difluoroethyl(methyl)amino]pyridine-4-carbonitrile is CN(CC(F)F)c1nccc(C#N)c1Cl.
What is the InChIKey of 3-chloro-2-[2,2-difluoroethyl(methyl)amino]pyridine-4-carbonitrile?
The InChIKey is PWNKQMKVQFTHOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClF2N3/c1-15(5-7(11)12)9-8(10)6(4-13)2-3-14-9/h2-3,7H,5H2,1H3.
What are the key properties of 3-chloro-2-[2,2-difluoroethyl(methyl)amino]pyridine-4-carbonitrile?
3-chloro-2-[2,2-difluoroethyl(methyl)amino]pyridine-4-carbonitrile has a molecular weight of 231.63 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[2,2-difluoroethyl(methyl)amino]pyridine-4-carbonitrile is sourced from PubChem (CID 107058480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).